==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-05 2B6Y . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 1 1 2 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 152.1 43.5 -1.8 9.1 2 2 A N > - 0 0 64 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.922 360.0 -81.8-158.4 173.6 40.2 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.813 125.9 53.2 -55.3 -36.5 38.1 2.5 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 113.4 41.0 -65.6 -49.3 40.3 3.6 14.1 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.873 114.4 53.9 -64.7 -40.0 43.6 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.965 112.5 42.1 -57.8 -55.3 41.9 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.800 109.8 57.9 -67.2 -27.4 40.7 8.0 10.9 8 8 A R H X S+ 0 0 104 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.895 109.6 45.9 -69.8 -33.3 44.0 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.936 117.9 41.8 -71.6 -46.9 45.7 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.783 126.1 32.4 -71.1 -29.3 43.2 11.0 8.0 11 11 A E H < S- 0 0 44 -4,-2.2 19,-0.3 -5,-0.2 -3,-0.2 0.741 89.8-154.7-103.4 -26.5 42.9 13.2 11.0 12 12 A G < - 0 0 24 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.1 -0.184 25.3 -89.1 73.6-175.4 46.3 13.1 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 40.8 174.2-137.5 122.4 46.7 13.7 16.5 14 14 A R E -A 28 0A 148 14,-1.7 14,-2.5 -2,-0.4 4,-0.1 -0.999 18.1-161.5-130.3 131.0 47.3 17.1 18.1 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.374 75.1 59.4 -92.6 4.4 47.4 17.6 21.9 16 16 A K E S-C 57 0B 113 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.954 101.3 -85.0-137.3 142.4 46.8 21.3 21.8 17 17 A I E + 0 0 21 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.162 58.2 167.8 -49.7 139.7 43.8 23.3 20.4 18 18 A Y E -A 26 0A 28 8,-3.0 8,-2.9 6,-0.1 2,-0.4 -0.925 37.6-101.8-148.7 172.5 44.2 23.9 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.858 35.1-137.4-104.6 134.6 42.2 25.1 13.8 20 20 A D > - 0 0 46 4,-2.4 3,-1.8 -2,-0.4 -1,-0.1 -0.058 42.1 -78.8 -82.7-170.2 40.9 22.5 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 134.7 48.7 -62.5 -27.0 40.9 22.7 7.5 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.465 124.0-101.1 -88.8 -5.1 37.8 25.0 7.8 23 23 A G S < S+ 0 0 40 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.567 76.3 140.0 93.4 10.8 39.2 27.3 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.772 60.5-104.7 -98.1 137.3 37.3 25.6 13.4 25 25 A Y E +AB 19 34A 29 9,-0.6 8,-2.6 -2,-0.4 9,-1.3 -0.318 52.9 162.8 -57.2 128.7 38.8 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.904 17.9-171.0-148.6 153.4 39.6 21.3 17.1 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 2,-0.2 -0.979 51.6 3.2-144.2 159.7 41.7 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.7 -2,-0.3 2,-0.8 -0.418 122.1 -7.7 79.7-135.9 42.9 15.5 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.672 127.8 -51.9-103.8 72.7 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.2 -19,-0.3 -2,-0.2 0.736 83.9 160.1 70.6 27.0 39.6 15.4 14.7 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.5 1,-0.0 -1,-0.2 -0.690 33.5-144.3 -85.4 98.2 37.4 16.3 17.7 32 32 A L E -B 26 0A 74 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.381 18.9-176.2 -58.9 122.9 35.6 19.5 16.7 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.912 57.8 -27.1 -92.3 -47.9 35.2 21.7 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.3 -0.960 35.3-138.1-164.4 150.8 33.2 24.7 18.4 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.523 74.0 111.2 -88.2 -6.4 32.5 26.7 15.1 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.399 73.8-131.5 -69.6 139.9 32.7 29.9 17.1 37 37 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.328 77.0 106.4 -74.0 7.6 35.7 32.2 16.4 38 38 A S > - 0 0 49 1,-0.1 4,-1.4 -13,-0.0 -2,-0.1 -0.811 55.3-163.0-100.5 123.8 36.3 32.5 20.1 39 39 A L H > S+ 0 0 78 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.741 95.3 55.2 -73.0 -23.9 39.3 30.7 21.6 40 40 A N H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 103.8 53.4 -76.6 -39.3 37.8 31.1 25.0 41 41 A A H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.835 110.2 50.5 -56.7 -34.4 34.6 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.904 109.4 48.3 -68.5 -50.8 36.8 26.5 22.6 43 43 A K H X S+ 0 0 52 -4,-1.9 4,-2.6 2,-0.2 11,-0.3 0.858 110.9 51.6 -56.1 -39.8 38.7 26.1 25.9 44 44 A S H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.866 110.5 47.4 -71.4 -33.8 35.4 26.1 27.8 45 45 A E H X S+ 0 0 64 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.878 112.0 53.6 -69.6 -36.2 34.0 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.925 106.9 48.2 -63.1 -47.4 37.3 21.5 26.0 47 47 A D H X>S+ 0 0 39 -4,-2.6 4,-2.9 1,-0.2 5,-1.4 0.915 114.7 47.3 -59.8 -41.5 37.1 21.6 29.9 48 48 A K H <5S+ 0 0 141 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.827 110.3 51.2 -67.1 -35.8 33.5 20.4 29.7 49 49 A A H <5S+ 0 0 42 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 122.4 32.9 -69.1 -35.1 34.4 17.6 27.2 50 50 A I H <5S- 0 0 35 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.705 102.9-124.5 -98.7 -28.0 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 69 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.781 78.2 64.4 88.0 28.9 35.9 17.1 33.0 52 52 A R S - 0 0 10 -2,-1.0 3,-0.9 -11,-0.3 -1,-0.2 0.808 30.4-146.4 -87.6 -32.4 42.7 21.8 30.6 55 55 A N T 3 S- 0 0 109 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.840 74.0 -59.8 54.3 33.7 44.1 25.2 29.6 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.7 -13,-0.2 2,-0.4 0.474 118.0 99.5 85.4 3.7 43.9 24.0 26.0 57 57 A V B < +C 16 0B 69 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.967 44.7 177.1-126.6 137.6 46.2 21.0 26.4 58 58 A I - 0 0 4 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.871 26.4-112.5-132.2 167.5 45.2 17.3 26.8 59 59 A T > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.430 33.5-102.4 -93.0 174.0 47.1 14.1 27.1 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 120.1 53.2 -63.3 -49.7 47.2 11.2 24.7 61 61 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 110.4 47.6 -48.0 -50.0 44.8 9.0 26.8 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 110.8 51.6 -64.0 -37.5 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.936 111.9 47.6 -64.3 -44.5 42.6 12.3 23.1 64 64 A E H X S+ 0 0 78 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.826 108.6 54.1 -65.7 -32.6 42.0 8.6 22.6 65 65 A K H X S+ 0 0 142 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 109.5 47.0 -67.1 -45.8 39.0 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 111.9 53.0 -54.9 -43.1 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.945 107.0 49.8 -59.0 -56.6 38.2 9.5 19.7 68 68 A N H X S+ 0 0 88 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 112.9 47.9 -45.5 -48.8 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 111.8 49.7 -65.9 -37.5 33.4 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.874 110.7 48.1 -72.4 -38.5 33.3 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.951 112.8 49.6 -64.5 -46.0 33.6 6.9 16.5 72 72 A D H X S+ 0 0 83 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.903 111.0 49.9 -55.1 -44.5 30.9 5.3 18.6 73 73 A A H X S+ 0 0 44 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.862 108.2 52.1 -70.0 -35.7 28.7 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 110.6 48.4 -61.3 -48.3 29.2 8.3 14.3 75 75 A V H X S+ 0 0 38 -4,-2.5 4,-2.4 2,-0.2 3,-0.2 0.967 114.9 44.4 -51.7 -58.1 28.2 4.6 14.1 76 76 A R H X S+ 0 0 119 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 110.0 56.2 -58.1 -42.8 25.1 5.2 16.2 77 77 A G H < S+ 0 0 4 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.901 109.2 47.5 -52.2 -44.4 24.2 8.3 14.2 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-0.9 -3,-0.2 7,-0.4 0.916 111.3 50.1 -63.4 -45.1 24.3 6.1 11.0 79 79 A L H 3< S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.758 111.7 47.5 -71.2 -22.3 22.1 3.4 12.6 80 80 A R T 3< S+ 0 0 176 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.502 92.3 96.7 -91.0 -5.9 19.5 5.9 13.8 81 81 A N <> - 0 0 19 -3,-0.9 4,-2.7 -4,-0.5 -4,-0.0 -0.759 64.7-151.4 -93.8 123.5 19.3 7.7 10.4 82 82 A A T 4 S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.852 96.9 41.2 -61.5 -35.7 16.5 6.6 8.1 83 83 A K T > S+ 0 0 141 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.843 120.2 41.1 -77.1 -35.4 18.5 7.4 5.0 84 84 A L H > S+ 0 0 9 -7,-0.2 4,-2.7 1,-0.2 3,-0.4 0.883 102.4 65.7 -86.3 -38.5 21.9 6.2 6.0 85 85 A K H X S+ 0 0 88 -4,-2.7 4,-2.8 -7,-0.4 5,-0.2 0.893 99.3 49.6 -55.9 -48.4 21.0 2.9 7.8 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.867 114.8 47.8 -63.3 -29.4 19.7 1.0 4.7 87 87 A V H X S+ 0 0 10 -4,-0.6 4,-0.8 -3,-0.4 3,-0.3 0.936 111.8 47.8 -73.5 -47.2 22.9 2.0 2.8 88 88 A Y H >< S+ 0 0 33 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.905 109.1 53.9 -57.9 -45.4 25.2 1.0 5.6 89 89 A D H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 105.3 55.8 -62.6 -29.0 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.686 95.3 86.9 -75.5 -20.3 24.0 -3.1 2.3 91 91 A L S << S- 0 0 5 -3,-1.0 31,-0.0 -4,-0.8 2,-0.0 -0.511 76.2-118.7 -87.0 151.0 27.7 -2.6 2.5 92 92 A D > - 0 0 58 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.185 44.0 -92.4 -70.1 173.9 30.6 -5.0 3.3 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.828 121.3 50.2 -70.4 -37.3 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 30 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.939 113.3 46.1 -65.7 -44.7 35.6 -2.3 4.4 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.797 105.0 61.6 -75.6 -26.8 33.1 -0.0 2.7 96 96 A R H X S+ 0 0 76 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.878 99.5 56.7 -56.9 -38.9 31.3 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.2 -3,-0.4 -2,-0.2 0.876 104.1 52.7 -61.1 -37.4 34.5 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.913 107.3 51.3 -65.8 -41.8 34.4 4.5 4.5 99 99 A A H X S+ 0 0 17 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.887 110.3 48.7 -61.3 -39.8 30.8 5.5 5.4 100 100 A I H X S+ 0 0 8 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.896 107.8 55.9 -66.3 -43.0 31.8 6.1 9.1 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 109.0 46.3 -52.8 -49.8 34.8 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.919 115.2 46.2 -57.9 -48.8 32.5 10.6 5.9 103 103 A V H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.945 110.0 53.3 -63.2 -47.8 30.0 10.9 8.8 104 104 A F H < S+ 0 0 31 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 117.1 40.4 -50.0 -43.4 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.873 132.9 16.4 -76.1 -42.9 34.1 14.3 9.0 106 106 A M H X S- 0 0 50 -4,-3.3 4,-0.6 -5,-0.1 -3,-0.2 0.455 103.1-113.4-123.1 6.8 30.9 16.0 7.9 107 107 A G H X - 0 0 34 -4,-2.9 4,-2.0 -5,-0.3 5,-0.2 0.182 37.2 -79.9 74.0 160.8 28.2 14.8 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.834 129.8 55.1 -68.1 -33.2 25.1 12.6 9.4 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.904 107.3 52.9 -64.6 -43.1 23.2 15.5 7.9 110 110 A G H >< S+ 0 0 28 -4,-0.6 3,-1.2 2,-0.2 -2,-0.2 0.956 113.8 39.4 -53.2 -56.2 26.1 16.2 5.6 111 111 A V H >< S+ 0 0 5 -4,-2.0 3,-3.0 1,-0.3 -2,-0.2 0.921 106.4 63.4 -69.3 -41.1 26.3 12.6 4.3 112 112 A A H 3< S+ 0 0 21 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.694 95.6 64.8 -54.7 -20.9 22.5 12.2 4.1 113 113 A G T << S+ 0 0 56 -3,-1.2 2,-0.5 -4,-0.8 -1,-0.3 0.414 78.0 82.7 -76.0 -2.6 22.8 15.0 1.5 114 114 A F <> + 0 0 35 -3,-3.0 4,-2.8 1,-0.2 5,-0.2 -0.284 57.8 153.7 -94.3 52.1 24.8 12.8 -0.9 115 115 A T H > + 0 0 88 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.831 66.8 45.8 -50.9 -50.7 21.5 11.3 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.913 114.9 46.5 -62.2 -43.8 22.6 10.3 -5.6 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 109.7 55.7 -64.0 -45.2 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 19 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.920 107.6 48.3 -51.6 -49.0 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 115 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.873 112.4 48.0 -62.3 -39.9 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 31 -4,-1.8 5,-2.6 2,-0.2 4,-0.3 0.840 111.4 50.8 -71.6 -33.5 24.6 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.947 108.9 51.8 -65.9 -44.3 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 84 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.6 46.2 -58.7 -35.6 23.3 0.9 -2.3 123 123 A Q T 3<5S- 0 0 89 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.437 113.3-121.8 -87.4 -4.0 23.1 -0.6 -5.9 124 124 A K T < 5 + 0 0 96 -3,-1.6 2,-1.3 -4,-0.3 -3,-0.2 0.786 60.6 149.5 66.9 33.5 26.8 -1.4 -5.7 125 125 A R >< + 0 0 119 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.710 20.3 174.8 -92.0 80.0 27.6 0.7 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.892 67.7 46.2 -66.2 -46.7 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 114.2 49.8 -64.3 -38.3 32.7 3.4 -10.4 128 128 A E H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 109.8 50.4 -72.2 -34.4 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.918 108.2 53.9 -65.7 -41.1 29.5 6.3 -7.0 130 130 A A H X S+ 0 0 12 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.916 110.0 46.8 -58.4 -48.4 33.2 7.3 -7.1 131 131 A V H X S+ 0 0 92 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.925 115.3 45.2 -58.5 -48.0 32.5 9.8 -10.0 132 132 A N H >< S+ 0 0 37 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.901 109.4 54.9 -68.0 -39.5 29.5 11.3 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.845 102.1 59.6 -58.8 -36.2 31.2 11.5 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.5 2,-1.6 -5,-0.2 -1,-0.2 0.658 86.9 78.5 -68.2 -18.0 34.0 13.6 -6.4 135 135 A K S << S+ 0 0 151 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.567 80.7 96.0 -90.8 71.8 31.5 16.3 -7.6 136 136 A S S > S- 0 0 18 -2,-1.6 4,-1.8 1,-0.1 5,-0.1 -0.988 84.8-115.9-158.5 153.2 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.917 115.3 61.9 -59.4 -43.5 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.913 106.8 42.8 -49.2 -52.0 34.1 18.0 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.3 49.6 -62.2 -41.5 36.3 16.6 -2.6 140 140 A N H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.836 116.3 42.2 -71.2 -29.9 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 109 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.885 132.6 18.5 -82.7 -42.9 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 -0.573 73.3 160.1-126.9 70.9 40.1 18.1 1.0 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.848 70.9 54.4 -62.8 -38.7 41.0 16.1 -2.3 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.943 116.3 36.8 -64.4 -45.8 43.7 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 116.0 54.4 -70.9 -44.4 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.909 107.1 51.2 -55.3 -48.2 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.838 107.8 53.3 -54.7 -41.7 40.3 10.3 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.4 4,-1.2 -5,-0.2 12,-0.2 0.920 114.1 41.4 -59.5 -44.2 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 114.5 51.1 -71.7 -45.3 37.8 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.894 109.3 51.3 -57.0 -42.9 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.7 2,-0.2 6,-0.4 0.834 107.5 53.2 -63.6 -34.9 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.7 44.7 -68.4 -41.0 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.4 49.4 -68.3 -37.6 34.2 2.8 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 125.5 21.4 -69.6 -42.3 35.4 2.0 -5.2 155 155 A T H < S- 0 0 48 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.638 85.7-133.5-103.5 -22.1 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.1 2,-0.3 -5,-0.3 -62,-0.2 0.708 73.4 103.1 69.5 21.0 36.5 -2.5 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.809 79.8-121.8-128.0 169.3 40.1 -2.7 -0.0 158 158 A W S > S+ 0 0 43 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.081 72.6 120.7 -93.2 16.7 42.4 -0.7 2.3 159 159 A D G > + 0 0 91 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.852 65.5 58.6 -55.0 -41.0 44.9 -0.1 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.657 109.9 46.4 -63.9 -14.4 44.6 3.7 -0.4 161 161 A Y G < 0 0 21 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.445 360.0 360.0-107.1 -1.0 45.8 3.5 3.2 162 162 A K < 0 0 180 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.0 0.184 360.0 360.0-111.2 360.0 48.7 1.1 2.6